IngredientID 68228
3-O--alpha-(2''-O-Acetyl)-D-xylopyranosyl-3-beta-hydroxyolean-12-ene-28,29-dioic acid
C37H56O10
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68228
- Core Entity Id
- 130877
- Source Entity Count
- 1
- Preferred Name
- 3-O--alpha-(2''-O-Acetyl)-D-xylopyranosyl-3-beta-hydroxyolean-12-ene-28,29-dioic acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C37H56O10
- Molecular Weight
- 660.3900
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-O--alpha-(2''-O-Acetyl)-D-xylopyranosyl-3-beta-hydroxyolean-12-ene-28,29-dioic acid
Itcmdb Generated
ITX-INGREDIENT-1CE473C7E3AC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
660.390
Molecular Formula
C37H56O10
Fda Maximum Daily Dose (Fdamdd)
0.907
Quantitative Estimate Of Drug Likeness（Qed）
0.172